./iterations/neb0_image02_iter27.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.468755966431 0.238538141712 0.474577692889} O1 1 1
14 {} {0.330053463299 0.245992768434 0.56169296914} Si1 2 1
14 {} {0.597441534978 0.331182873866 0.431881851405} Si2 3 1
8 {} {0.545167132196 0.475961014467 0.373786913455} O2 4 1
8 {} {0.333407290372 0.377300248292 0.659825144652} O3 5 1
14 {} {0.270365144337 0.518794416675 0.718220123951} Si3 6 1
14 {} {0.528682294372 0.640681539756 0.378506681703} Si4 7 1
1 {} {0.321159868896 0.122413552753 0.645209536646} H1 8 1
1 {} {0.214378113014 0.253916482285 0.467692152701} H2 9 1
1 {} {0.669912149265 0.251434007727 0.329521389416} H3 10 1
1 {} {0.685683976346 0.346214779674 0.551383343658} H4 11 1
1 {} {0.125070830376 0.497685566858 0.736461719027} H5 12 1
1 {} {0.341472113818 0.542346112664 0.847441427365} H6 13 1
1 {} {0.387910710055 0.68497636049 0.3566067864} H7 14 1
1 {} {0.60832544105 0.702556459437 0.268806380254} H8 15 1
1 {} {0.565496522946 0.686081510741 0.51506369585} H10 16 1
8 {} {0.282797325915 0.639596702143 0.604504976401} O 17 1
1 {} {0.334006268753 0.716845427077 0.609875203379} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end